Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)

HCID 67942
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Basic information

CAS
433-06-7
Standard SMILES
Cc1ccc(S(=O)(=O)OCC(F)(F)F)cc1
InChIKey
IGKCQDUYZULGBM-UHFFFAOYSA-N
Molecular formula
C9H9F3O3S
Average molar mass
254.23 g/mol
Monoisotopic mass
254.02244981

Names & identifiers

Preferred name
Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
IUPAC
2,2,2-trifluoroethyl 4-methylbenzenesulfonate
English name
2,2,2-TRIFLUOROETHYL P-TOLUENESULFONATE
Molecular formula
C9H9F3O3S
Molecular weight
254.23

Names & synonyms

2,2,2-Trifluoroethyl tosylateEthanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonateEthanol, 2,2,2-trifluoro-, p-toluenesulfonate2,2,2-Trifluoroethyl p-toluenesulphonateEthanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)EINECS 207-085-5NSC 77401DTXSID90883384RefChem:592093DTXCID901022919Ethanol, 2,2,2-trifluoro-, p-toluenesulfonate (8CI)207-085-5
Show more names
2,2,2-trifluoroethyl ester100532TrifluoroethyltosylateAzithromycin Impurity 742,2,2-TRIFLUOROETHYL P-TOo-(p-tosyl)a,a,a,-trifluoroethanol
433-06-72,2,2-Trifluoroethyl 4-methylbenzenesulfonate2,2,2-Trifluoroethyl p-toluenesulfonateTrifluoroethanol tosylate2,2,2-trifluoroethyl 4-methylbenzene-1-sulfonateMFCD00000443trifluorethyltosylate2,2,2-trifluoroethyl-p-toluenesulfonate

Database identifiers

CAS
433-06-7
PubChem CID
67942
DTXSID
DTXSID90883384
UNII
8EG3GP9XGW
EC Number
207-085-5
Nikkaji
J196.121G

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
36 · 36-38 °C(lit.)
Boiling point
87 · 87-92 °C0.1 mm Hg(lit.)
Density
1 g/cm3 · 1 g/cm3
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Chloroform (Sparingly), Methanol (Sparingly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29049090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate): INACTIVE

Applications

Uses2,2,2-Trifluoroethyl Tosylate is a trifluoroethylation agent used in the preparation of 2,2,2-trifluoroethyl phenyl sulfone, a potential 2,2,2-trifluoroethyl pronucleophile.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

141 records
New reaction record

Compound notes

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